4-(Aminomethyl)-3-fluorobenzonitrile


Chemical Name: 4-(Aminomethyl)-3-fluorobenzonitrile
CAS Number: 1354963-08-8
Product Number: AG019SBP(AGN-PC-0WALJL)
Synonyms:
MDL No:
Molecular Formula: C8H8ClFN2
Molecular Weight: 186.6139

Identification/Properties


Computed Properties
Molecular Weight:
186.614g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
186.036g/mol
Monoisotopic Mass:
186.036g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-(Aminomethyl)-3-fluorobenzonitrile hydrochloride is a versatile compound widely used in chemical synthesis. This unique molecule serves as a key building block in the creation of numerous organic compounds due to its functional groups and reactivity.In chemical synthesis, 4-(Aminomethyl)-3-fluorobenzonitrile hydrochloride plays a crucial role in the formation of complex structures such as pharmaceuticals, agrochemicals, and materials. Its aminomethyl group serves as a primary amine, allowing for the introduction of various functional groups through typical amine chemistry reactions.Additionally, the presence of the fluorine atom on the benzene ring provides opportunities for selective modifications and transformations during synthesis. This fluorinated moiety can impart unique properties to the final compound, making it valuable in medicinal chemistry and material science.Overall, the strategic incorporation of 4-(Aminomethyl)-3-fluorobenzonitrile hydrochloride in chemical synthesis enables the efficient construction of diverse organic molecules with tailored properties and functionalities.